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Ragot Sebastien

Publications and source records attributed to Ragot Sebastien.

2 recordsLinked to original sources

Comments on the Hartree-Fock description of the Hooke's atom and suggestion for an accurate closed-form orbital

The ground-state Hartree-Fock (HF) wavefunction of the Hooke's atom is not known in closed form, contrary to the exact solution. The single HF orbital involved has thus far been studied using expansion techniques only, leading to slightly disparate energies. Therefore, the present letter aims at proposing alternative definitions of the HF wavefunction. First, the HF limit is ascertained using a simple expansion, which makes it possible to formulate explicit expressions of HF properties. The resulting energy, 2.038 438 871 8 Eh, is found stable at the tenth digit. Second and more instructive, an analysis of the Hartree equation makes it possible to infer a remarkably simple and accurate HF orbital, leading to an energy exceeding by 5.76 10-7 Eh only the above HF limit. This orbital makes it possible to obtain (near) Hartree-Fock properties in closed-form, which in turn enables handy comparisons with exact quantities.

physics.atom-ph

Comments on the momentum density and the spatial form of the density-matrix of the Hooke's atom

In a recent paper, A. Akbari, N. H. March and A. Rubio [Phys. Rev. A. 76, 032510 (2007)] have investigated the one-electron reduced density-matrix and the momentum density of several two-electron model atoms, including the Hooke's atom. The method used by the authors for deriving an integral form of the momentum density is well suited for deriving a closed-form expression of the exact reciprocal form factor, which function is of importance inasmuch as it reflects the off-diagonal side of the exact reduced density-matrix.

physics.atom-ph